(Z)-3-hexenyl-2-methylbutanoate
- Formula: C11H20O2
- Molecular weight: 184.2753
- IUPAC Standard InChI: InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
- IUPAC Standard InChIKey: JKKGTSUICJWEKB-SREVYHEPSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Isotopologues:
- Other names: cis-3-Hexenyl 2-methylbutanoate; (Z)-3-Hexyl 2-methylbutanoate; cis-3-Hexen-1-ol, 2-methylbutanoate
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5 | RSL-200 | DB-5 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | Helium | He | H2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 60. | 40. | 60. | 50. |
| Tend (C) | 230. | 246. | 280. | 240. | 230. |
| Heat rate (K/min) | 4. | 3. | 6. | 3. | 4. |
| Initial hold (min) | 4. | 2. | |||
| Final hold (min) | 10. | 10. | 10. | ||
| I | 1231. | 1247. | 1191. | 1231. | 1215. |
| Reference | Forero, Quijano, et al., 2008 | Coronel, Cerda-Garcia-Rojas, et al., 2006 | Jirovetz, Smith, et al., 2002 | Zoghbi, Andrade, et al., 2002 | Binder, Turner, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A.,
Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages,
Flavour Fragr. J., 2008, 24, 1, 25-30, https://doi.org/10.1002/ffj.1913
. [all data]
Coronel, Cerda-Garcia-Rojas, et al., 2006
Coronel, A. del.C.; Cerda-Garcia-Rojas, C.M.; Joseph-Nathan, P.; Catalán, C.A.N.,
Chemical composition, seasonal variation and a new sesquiterpene alcohol from the essential oil of Lippia integrifolia,
Flavour Fragr. J., 2006, 21, 5, 839-847, https://doi.org/10.1002/ffj.1736
. [all data]
Jirovetz, Smith, et al., 2002
Jirovetz, L.; Smith, D.; Buchbauer, G.,
Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry,
J. Agric. Food Chem., 2002, 50, 16, 4643-4646, https://doi.org/10.1021/jf020129n
. [all data]
Zoghbi, Andrade, et al., 2002
Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.; Maia, J.G.S.; Luz, A.I.R.; da Silva, J.D.,
Chemical variation in the essential oils of Hyptis crenata Pohl ex Benth.,
Flavour Fragr. J., 2002, 17, 1, 5-8, https://doi.org/10.1002/ffj.1031
. [all data]
Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A.,
Volatile components of purple starthistle,
J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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